SCHEMBL3475669

SCHEMBL3475669

CCNc1cc(-c2ccnc(Nc3ccc(N4CCNCC4)cn3)n2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 10/20 0.64
CDK4 P11802 17/20 0.62
CCND1 P24385 16/20 0.62
CDK1 P06493 9/20 0.62
CCNB1 P14635 8/20 0.62
CCNA2 P20248 8/20 0.58
CDK2 P24941 7/20 0.58
CCNA1 P78396 4/20 0.58
CCND3 P30281 8/20 0.55
CCNT1 O60563 5/20 0.55
CDK7 P50613 5/20 0.55
CDK9 P50750 5/20 0.55
CCNH P51946 5/20 0.55
PRKD1 Q15139 1/20 0.52
PRKD2 Q9BZL6 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29557116 0.80 CDK4 (0.63) CDK6CDK4CCND1CDK1CCNB1
SCHEMBL29250106 0.76 CCND1 (0.64) CDK6CDK4CCND1CDK1CCNB1
SCHEMBL29815394 0.76 CDK4 (0.72) CDK6CDK4CCND1CDK1CCNB1
SCHEMBL30236795 0.76 CCND1 (0.64) CDK6CDK4CCND1CDK1CCNB1
SCHEMBL18453328 0.76 CDK4 (0.72) CDK6CDK4CCND1CDK1CCNB1
SCHEMBL18453998 0.76 CDK4 (0.78) CDK6CDK4CCND1CDK1CCNB1
SCHEMBL29815803 0.76 CDK4 (0.78) CDK6CDK4CCND1CDK1CCNB1
SCHEMBL14681918 0.76 CDK4 (0.76) CDK6CDK4CCND1CDK1CCNB1
SCHEMBL23296202 0.74 CDK4 (0.64) CDK6CDK4CCND1CDK1CCNB1
SCHEMBL4254089 0.74 CDK4 (0.68) CDK6CDK4CCND1CDK1CCNB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204229-A1 FUNGICIDE HETEROCYCLYL-PYRIMIDINYL-AMINO DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-08-12 US claimed
EP-2164841-A1 FUNGICIDE HETEROCYCLYL-PYRIMIDINYL-AMINO DERIVATIVES Bayer CropScience SA (FR) 2010-03-24 EP claimed
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP claimed
WO-2008148889-A1 FUNGICIDE HETEROCYCLYL-PYRIMIDINYL-AMINO DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-12-11 WO claimed
EP-1590341-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2005-11-02 EP claimed
US-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders PFIZER INC 2004-11-25 US claimed
WO-2004065378-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO claimed
US-8273759-B2 Fungicide heterocyclyl-pyrimidinyl-amino derivatives BAYER CROPSCIENCE AG (DE) 2012-09-25 US disclosed
US-20100204229-A1 FUNGICIDE HETEROCYCLYL-PYRIMIDINYL-AMINO DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-08-12 US disclosed
EP-2164841-A1 FUNGICIDE HETEROCYCLYL-PYRIMIDINYL-AMINO DERIVATIVES Bayer CropScience SA (FR) 2010-03-24 EP disclosed
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP disclosed
WO-2009014642-A1 COMBINATION OF A DE NOVO PURINE BIOSYNTHESIS INHIBITOR AND A CYCLIN DEPENDENT KINASE INHIBITOR FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2009-01-29 WO disclosed
US-20090030005-A1 Combinations for the treatment of cancer AMGEN INC. (US) 2009-01-29 US disclosed
WO-2008148889-A1 FUNGICIDE HETEROCYCLYL-PYRIMIDINYL-AMINO DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-12-11 WO disclosed
EP-1740184-A1 COMBINATIONS OF SIGNAL TRANSDUCTION INHIBITORS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
EP-1590341-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2005-11-02 EP disclosed
WO-2005094830-A1 COMBINATIONS OF SIGNAL TRANSDUCTION INHIBITORS PFIZER PRODUCTS INC. (US) 2005-10-13 WO disclosed
US-20050222163-A1 Combinations of signal transduction inhibitors PFIZER INC 2005-10-06 US disclosed
US-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders PFIZER INC 2004-11-25 US disclosed
WO-2004065378-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100204229-A1 FUNGICIDE HETEROCYCLYL-PYRIMIDINYL-AMINO DERIVATIVES PAH, CYP4X1, PRXL2A CDK6 776/4885CDK4 272/4885CCND1 407/4885
US-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders CDK4, CCNA1, CCNI CDK6 25/4885CDK4 1/4885CCND1 11/4885
US-20050222163-A1 Combinations of signal transduction inhibitors CDK4, CDK3, CDK2 CDK6 7/4885CDK4 1/4885CCND1 66/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.